(2-azaniumyl-3-oxidanyl-4-oxidanylidene-cyclobut-2-en-1-ylidene)-[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]azanium

Systemtic Name: (2-azaniumyl-3-oxidanyl-4-oxidanylidene-cyclobut-2-en-1-ylidene)-[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]azanium Openeye Name: (2-azaniumyl-3-hydroxy-4-oxo-cyclobut-2-en-1-ylidene)-[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]ammonium CAS Name: (2-ammonio-3-hydroxy-4-oxo-1-cyclobut-2-enylidene)-[(E)-4-[3-(1-piperidin-1-iumylmethyl)phenoxy]but-2-enyl]ammonium IUPAC Name: (2-azaniumyl-3-hydroxy-4-oxocyclobut-2-en-1-ylidene)-[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]azanium Traditional Name: (2-ammonio-3-hydroxy-4-keto-cyclobut-2-en-1-ylidene)-[(E)-4-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]but-2-enyl]ammonium Formula: C20H28N3O3+3 MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC=CC[NH+]=C3C(=C(C3=O)O)[NH3+]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=CC=C2)OC/C=C/C[NH+]=C3C(=C(C3=O)O)[NH3+]

InChI

InChI=1S/C20H25N3O3/c21-17-18(20(25)19(17)24)22-9-2-5-12-26-16-8-6-7-15(13-16)14-23-10-3-1-4-11-23/h2,5-8,13,24H,1,3-4,9-12,14,21H2/p+3/b5-2+,22-18?